methyl 4-chloranyl-1-(4-methylphenyl)-5-phenyl-pyrazole-3-carboxylate

Systemtic Name: methyl 4-chloranyl-1-(4-methylphenyl)-5-phenyl-pyrazole-3-carboxylate Openeye Name: methyl 4-chloro-5-phenyl-1-(p-tolyl)pyrazole-3-carboxylate CAS Name: 4-chloro-1-(4-methylphenyl)-5-phenyl-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 4-chloro-1-(4-methylphenyl)-5-phenylpyrazole-3-carboxylate Traditional Name: 4-chloro-5-phenyl-1-(p-tolyl)pyrazole-3-carboxylic acid methyl ester Formula: C18H15ClN2O2 MolecularWeight: 326.7769

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C(=N2)C(=O)OC)Cl)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C(=N2)C(=O)OC)Cl)C3=CC=CC=C3

InChI

InChI=1S/C18H15ClN2O2/c1-12-8-10-14(11-9-12)21-17(13-6-4-3-5-7-13)15(19)16(20-21)18(22)23-2/h3-11H,1-2H3